N-(2-aminoethyl)-1-(2-iodobenzoyl)piperidine-3-carboxamide

C15H20IN3O2 — CID 63251979

IUPACN-(2-aminoethyl)-1-(2-iodobenzoyl)piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(C(=O)c2ccccc2I)C1
InChIInChI=1S/C15H20IN3O2/c16-13-6-2-1-5-12(13)15(21)19-9-3-4-11(10-19)14(20)18-8-7-17/h1-2,5-6,11H,3-4,7-10,17H2,(H,18,20)
InChIKeyFOEINRPAKKECQT-UHFFFAOYSA-N
MW401.25 g/mol
LogP1.22
Rot. Bonds4

About N-(2-aminoethyl)-1-(2-iodobenzoyl)piperidine-3-carboxamide

N-(2-aminoethyl)-1-(2-iodobenzoyl)piperidine-3-carboxamide (PubChem CID 63251979) has the molecular formula C15H20IN3O2 and a molecular weight of 401.25 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(2-iodobenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(2-iodobenzoyl)piperidine-3-carboxamide
PubChem CID63251979
Molecular FormulaC15H20IN3O2
Molecular Weight401.25 g/mol
Exact Mass401.06
IUPAC NameN-(2-aminoethyl)-1-(2-iodobenzoyl)piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(C(=O)c2ccccc2I)C1
InChIInChI=1S/C15H20IN3O2/c16-13-6-2-1-5-12(13)15(21)19-9-3-4-11(10-19)14(20)18-8-7-17/h1-2,5-6,11H,3-4,7-10,17H2,(H,18,20)
InChIKeyFOEINRPAKKECQT-UHFFFAOYSA-N
XLogP1.22
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.25
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-1-(2-benzylbenzoyl)piperidine-3-carboxamide
CID 119480881
N-(2-aminoethyl)-1-[2-(cyclopropylmethoxy)benzoyl]piperidine-3-carboxamide;hydrochloride
CID 119481079
N-(2-aminoethyl)-1-(2-methylpyridine-3-carbonyl)piperidine-3-carboxamide;dihydrochloride
CID 119480906
N-(2-aminoethyl)-1-(2-methyl-1H-pyrrole-3-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119482030
N-(2-aminoethyl)-1-(2-propylsulfonylbenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119481442
N-(2-aminoethyl)-1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119480900
N-(2-aminoethyl)-1-(2,4-dimethylbenzoyl)piperidine-3-carboxamide
CID 119480898
N-(2-aminoethyl)-1-(2-chlorofuran-3-carbonyl)piperidine-3-carboxamide
CID 106688486
N-(2-aminoethyl)-1-(2-amino-3-nitrobenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119480361
ethyl (3S)-1-(2-iodobenzoyl)piperidine-3-carboxylate
CID 1345981
1-(4-acetylbenzoyl)-N-(2-aminoethyl)piperidine-3-carboxamide;hydrochloride
CID 119479334
N-(2-aminoethyl)-1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxamide
CID 63252564

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(2-iodobenzoyl)piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-(2-iodobenzoyl)piperidine-3-carboxamide (CID 63251979) is N-(2-aminoethyl)-1-(2-iodobenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-(2-iodobenzoyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-(2-iodobenzoyl)piperidine-3-carboxamide is NCCNC(=O)C1CCCN(C(=O)c2ccccc2I)C1.
What is the InChIKey of N-(2-aminoethyl)-1-(2-iodobenzoyl)piperidine-3-carboxamide?
The InChIKey is FOEINRPAKKECQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20IN3O2/c16-13-6-2-1-5-12(13)15(21)19-9-3-4-11(10-19)14(20)18-8-7-17/h1-2,5-6,11H,3-4,7-10,17H2,(H,18,20).
What are the key properties of N-(2-aminoethyl)-1-(2-iodobenzoyl)piperidine-3-carboxamide?
N-(2-aminoethyl)-1-(2-iodobenzoyl)piperidine-3-carboxamide has a molecular weight of 401.25 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-(2-iodobenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 63251979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).